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CHEBI:212154 - Penicimarin I

ChEBI IDCHEBI:212154
ChEBI NamePenicimarin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCOC(=O)CC[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C13H14O5/c1-17-11(15)6-5-9-7-8-3-2-4-10(14)12(8)13(16)18-9/h2-4,9,14H,5-7H2,1H3/t9-/m1/s1
InChIKeyDOFCTMZPVWXBQU-SECBINFHSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (27735855)
ChEBI Ontology
Outgoing Relation(s)
Penicimarin I (CHEBI:212154) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
methyl 3-[(3R)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]propanoate
Manual XrefsDatabases
58197354ChemSpider